Theoretical and electron spin resonance studies of the H⋯H, H⋯D, and D⋯D spin-pair radicals in rare gas matrices: A case of extreme singlet–triplet mixing
Theoretical and electron spin resonance studies of the H⋯H, H⋯D, and D⋯D spin-pair radicals in rare gas matrices: A case of extreme singlet–triplet mixing
复制标题
稀有气体基质中 H⋯H、H⋯D 和 D⋯D 自旋对自由基的理论和电子自旋共振研究：极端单重态-三重态混合的情况
DOI：
--
复制
发表时间：
1998
期刊：
影响因子：
--
通讯作者：
R. Dailey
中科院分区：
文献类型：
--
作者：
L. B. Knight;W. E. Rice;L. Moore;E. Davidson;R. Dailey
通过电子自旋共振（ESR），已经在接近4k的氖、氩、氪和氙矩阵中彻底研究了H⋯H、H⋯D和D⋯D自旋对自由基。已经建立了一个理论模型，将这些自旋对视为弱相互作用的原子。该模型在分析观察到的ESR光谱结果时考虑了3Σ/1Σ混合的影响，并得出了所有四种稀有气体中这三种同位素的一组一致的磁参数。在理论和实验分析中考虑了稀有气体晶格中H原子与其他H原子在核间距离分布上的相互作用。将该模型应用于H⋯CH3的早期ESR结果，揭示了其海森堡交换相互作用(J)的值，该值被发现比H⋯H自旋对的值大得多。计算了甲烷和氖对这些自旋对的J值的影响。H⋯H的情况是不寻常的，因为核超精细相互作用(A)相当大……
The H⋯H, H⋯D, and D⋯D spin-pair radicals have been thoroughly investigated in neon, argon, krypton, and xenon matrices near 4 K by electron spin resonance (ESR). A theoretical model has been developed that treats these spin-pairs as weakly interacting atoms. The model includes the effects of 3Σ/1Σ mixing in the analysis of the observed ESR spectral results and yields a consistent set of magnetic parameters for these three isotopomers in all four rare gas hosts. The consideration of H atoms interacting with other H atoms over a distribution of internuclear distances in the rare gas lattice is included in the theoretical and experimental analyses. Application of the model to earlier ESR results for H⋯CH3 reveals a value for its Heisenberg exchange interaction (J) which is found to be considerably larger than that for the H⋯H spin-pair. The effects of methane and neon on the J value are calculated for these spin-pairs. The H⋯H case is unusual in that the nuclear hyperfine interaction (A) is considerably larg...
影响因子：
56.9
作者：
HARKINS, TT;GRISSOM, CB
通讯作者：
GRISSOM, CB